SCHEMBL23709452

SCHEMBL23709452

C=C/C(O)=C(\C=C\O)/C=N/Nc1cc(N/N=C/c2cc(O)ccc2O)nc(N=O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.38
▸ MEN1 O00255 8/20 0.38
▸ GAA P10253 5/20 0.38
▸ POLB P06746 4/20 0.38
▸ MAPT P10636 5/20 0.35
▸ LMNA P02545 4/20 0.35
▸ HTT P42858 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33
▸ HSP90AA1 P07900 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19449748 0.71 KMT2A (0.66) KMT2AMEN1GAAPOLBMAPT
SCHEMBL19449736 0.69 KMT2A (0.49) KMT2AMEN1GAAPOLBMAPT
SCHEMBL17560970 0.67 KMT2A (0.44) KMT2AMEN1GAAPOLBMAPT
SCHEMBL17560967 0.67 KMT2A (0.44) KMT2AMEN1GAAPOLBMAPT
SCHEMBL15965638 0.61 KMT2A (0.60) KMT2AMEN1GAAPOLBMAPT
SCHEMBL17560842 0.59 MEN1 (0.62) KMT2AMEN1GAAPOLBMAPT
SCHEMBL17560848 0.59 MEN1 (0.62) KMT2AMEN1GAAPOLBMAPT
SCHEMBL15965635 0.57 MAPT (0.60) KMT2AMEN1GAAPOLBMAPT
SCHEMBL15722733 0.56 MPO (0.64) KMT2AMEN1GAAPOLBMAPT
SCHEMBL23996036 0.56 KMT2A (0.51) KMT2AMEN1GAAPOLBMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3188722-B1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2021-08-04 — — EP disclosed
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